3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine

C11H19F3N2S — CID 114271889

IUPAC3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine
SMILESFC(F)(F)C1CCN(CCC2CSCCN2)C1
InChIInChI=1S/C11H19F3N2S/c12-11(13,14)9-1-4-16(7-9)5-2-10-8-17-6-3-15-10/h9-10,15H,1-8H2
InChIKeyVXPOGCHPNKAVMG-UHFFFAOYSA-N
MW268.35 g/mol
LogP1.97
Rot. Bonds3

About 3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine

3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine (PubChem CID 114271889) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol. Its IUPAC name is 3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine.

Molecular Properties

Compound Name3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine
PubChem CID114271889
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC Name3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine
SMILESFC(F)(F)C1CCN(CCC2CSCCN2)C1
InChIInChI=1S/C11H19F3N2S/c12-11(13,14)9-1-4-16(7-9)5-2-10-8-17-6-3-15-10/h9-10,15H,1-8H2
InChIKeyVXPOGCHPNKAVMG-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
CID 54927167
3-methylsulfanyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 54927208
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 54927241
1-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 54981437
1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 60856956
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 62870916
1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 63923614
N-(2-methyl-3-methylsulfanylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63981310
3,3,3-trifluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66420357
3,3,3-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 66420561
2,2,2-trifluoro-N-methyl-N-(2-thiomorpholin-3-ylethyl)ethanamine
CID 66421134
N-(2-thiomorpholin-3-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 66422570

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine?
The IUPAC name of 3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine (CID 114271889) is 3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine.
What is the SMILES notation for 3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine?
The canonical SMILES for 3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine is FC(F)(F)C1CCN(CCC2CSCCN2)C1.
What is the InChIKey of 3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine?
The InChIKey is VXPOGCHPNKAVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2S/c12-11(13,14)9-1-4-16(7-9)5-2-10-8-17-6-3-15-10/h9-10,15H,1-8H2.
What are the key properties of 3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine?
3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine has a molecular weight of 268.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine is sourced from PubChem (CID 114271889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).